Dear Lammps Users, I am working on a 2D framework which should be submitted to a unidirectional strain, in order to evaluate some elastic properties.
I think I may use the Fix Move command by “pinning” a few rows of atoms at the extreme opposite ends of the monolayer and submitting them to the movement imposed by fix move.
I read that “The atoms affected by this fix should not normally be time integrated by other fixes (e.g. fix nve, fix nvt), since that will change their positions and velocities twice”. so I put the fix move and the definition of groups of atoms to be moved before fix nve instruction.
Is this an appropriate way to manage this isssue?
Herebelow please find the input script.
I would like to avoid stupid mistakes before moving to larger frameworks, so any comment and/or recommendation will be very welcome.